N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide

C5H8N4OS2 — CID 17052825

IUPACN'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide
SMILESCc1nnc(SC/C(N)=N/O)s1
InChIInChI=1S/C5H8N4OS2/c1-3-7-8-5(12-3)11-2-4(6)9-10/h10H,2H2,1H3,(H2,6,9)
InChIKeyJMKDLYHTYJJJTC-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.69
Rot. Bonds3

About N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide

N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide (PubChem CID 17052825) has the molecular formula C5H8N4OS2 and a molecular weight of 204.28 g/mol. Its IUPAC name is N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide
PubChem CID17052825
Molecular FormulaC5H8N4OS2
Molecular Weight204.28 g/mol
Exact Mass204.01
IUPAC NameN'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide
SMILESCc1nnc(SC/C(N)=N/O)s1
InChIInChI=1S/C5H8N4OS2/c1-3-7-8-5(12-3)11-2-4(6)9-10/h10H,2H2,1H3,(H2,6,9)
InChIKeyJMKDLYHTYJJJTC-UHFFFAOYSA-N
XLogP0.69
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
CID 60875612
N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide
CID 77062476
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol
CID 103074170
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 70428933
N-(1-hydroxypropan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4668021
2-methyl-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-thiadiazole
CID 135334487
2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 63034349
N-(2-aminophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60875606
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79774988
2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 63033445
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 61386393

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide (CID 17052825) is N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide is Cc1nnc(SC/C(N)=N/O)s1.
What is the InChIKey of N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide?
The InChIKey is JMKDLYHTYJJJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS2/c1-3-7-8-5(12-3)11-2-4(6)9-10/h10H,2H2,1H3,(H2,6,9).
What are the key properties of N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide?
N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide has a molecular weight of 204.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide is sourced from PubChem (CID 17052825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).